SCHEMBL9191663

SCHEMBL9191663

CS(=O)(=O)OC(c1ccccc1)c1ccc2nccnc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OGA O60502 12/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 3/20 0.37
TGFBR1 P36897 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6670749 0.79 LMNA (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9196171 0.75 CA12 (0.41) OGAALDH1A1MAPTMEN1KMT2A
SCHEMBL9662976 0.75 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16060205 0.73 SLC6A3 (0.53) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL1918767 0.72 SLC6A2 (0.38) ALDH1A1LMNAKDM4EHPGDPOLB
Azetidine SCHEMBL5560125 0.70 SLC6A2 (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL12337100 0.70 KDM4E (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9192602 0.68 SMN1; SMN2 (0.47) OGAALDH1A1MAPTLMNAKDM4E
SCHEMBL17844445 0.68 CYP2D6 (0.38) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL9034432 0.66 HTT (0.44) ALDH1A1LMNATGFBR1POLBGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371564-B1 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-07-12 EP disclosed
US-5151421-A Compounds for inhibition of metabolism of retinoids, for treatment for proliferation of epithelial cells and keratin disorders JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
US-5028606-A Retinoid metabolism inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-02 US disclosed
EP-0371564-A2 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 EP disclosed